(3S)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-(2-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H23N3O4/c1-28-19-5-3-2-4-17(19)24-20(26)14-18(21(24)27)23-12-10-22(11-13-23)15-6-8-16(25)9-7-15/h2-9,18,25H,10-14H2,1H3/p+1/t18-/m0/s1